N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine

C14H17FN2O — CID 79047549

IUPACN-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine
SMILESCCNc1cc(COC)nc2cc(F)cc(C)c12
InChIInChI=1S/C14H17FN2O/c1-4-16-12-7-11(8-18-3)17-13-6-10(15)5-9(2)14(12)13/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyDLVCTJXIIRGQHU-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.26
Rot. Bonds4

About N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine

N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine (PubChem CID 79047549) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine
PubChem CID79047549
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine
SMILESCCNc1cc(COC)nc2cc(F)cc(C)c12
InChIInChI=1S/C14H17FN2O/c1-4-16-12-7-11(8-18-3)17-13-6-10(15)5-9(2)14(12)13/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyDLVCTJXIIRGQHU-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine?
The IUPAC name of N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine (CID 79047549) is N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine.
What is the SMILES notation for N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine?
The canonical SMILES for N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine is CCNc1cc(COC)nc2cc(F)cc(C)c12.
What is the InChIKey of N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine?
The InChIKey is DLVCTJXIIRGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-16-12-7-11(8-18-3)17-13-6-10(15)5-9(2)14(12)13/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine?
N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine has a molecular weight of 248.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine is sourced from PubChem (CID 79047549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).